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Chemical ID: 4684842
Chemical ID:
4684842
Name [?]:
4,10-dimethylundec-6-en-3-one
SMILES [?]:
CCC(=O)C(C)CC=CCCC(C)C
InChi [?]:
InChI=1/C13H24O/c1-5-13(14)12(4)10-8-6-7-9-11(2)3/h6,8,11-12H,5,7,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,6,2,9,10,8,11,7,12,5,3,4/E:(2,3)/rA:14cCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s5;s7;w8;s9;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.19575 |
Area: | 430.382 |
Solvation: | -1.56379 |
Coulombic: | -10.0423 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 196.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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